SCHEMBL3591660

SCHEMBL3591660

O=C(O)COc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 20/20 1.00
MAOA P21397 12/20 0.76
MAOB P27338 12/20 0.76

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4094445 0.94 ALDH2 (0.88) ALDH2MAOAMAOB
SCHEMBL12940403 0.89 ALDH2 (0.81) ALDH2MAOAMAOB
SCHEMBL4684681 0.86 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL10624708 0.85 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL7752699 0.85 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL320544 0.85 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL320049 0.85 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL320035 0.85 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL1701078 0.85 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL3419148 0.85 ALDH2 (0.74) ALDH2MAOAMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338624-B2 Isoflavone derivatives and uses thereof YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-12-25 US disclosed
US-20100069478-A1 ISOFLAVONE DERIVATIVES AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO, LTD. (IL) 2010-03-18 US disclosed
US-20100029758-A1 DERIVATIVES OF ISOFLAVONES YEDA RESEARCH AND DEVELOPMENT CO. LTD. 2010-02-04 US disclosed
WO-2008102350-A1 ISOFLAVONE DERIVATIVES AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD (IL) 2008-08-28 WO disclosed
EP-1484966-A4 DERIVATIVES OF ISOFLAVONES YEDA RES & DEV (IL) 2006-04-05 EP disclosed
US-20050096381-A1 Derivatives of isoflavones YEDA & MEDICAL RESEARCH 2005-05-05 US disclosed
EP-1484966-A2 DERIVATIVES OF ISOFLAVONES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-12-15 EP disclosed
WO-2003079965-A2 DERIVATIVES OF ISOFLAVONES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2003-10-02 WO disclosed
US-4772627-A AMORPHOUS DRUG AND ADSORBENT, IMPROVED DISSOLUTION AND ADSORPTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-20 US disclosed
EP-0129893-A2 Ground mixture Takeda Chemical Industries, Ltd. (JP) 1985-01-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029758-A1 DERIVATIVES OF ISOFLAVONES GPER1, ESR1, ESR2 ALDH2 3865/4885MAOA 3660/4885MAOB 2492/4885
US-20050096381-A1 Derivatives of isoflavones GPER1, ESR2, ESR1 ALDH2 2910/4885MAOA 2556/4885MAOB 1516/4885
US-20100069478-A1 ISOFLAVONE DERIVATIVES AND USES THEREOF SHBG, CYP19A1, GPER1 ALDH2 2737/4885MAOA 689/4885MAOB 319/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.